5HU4
Cystal structure of listeria monocytogenes sortase A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2015-04-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.986, 56.599, 60.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.475 - 2.300 |
R-factor | 0.2357 |
Rwork | 0.234 |
R-free | 0.27450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fn5 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.642 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.088 | 0.050 | 0.304 |
Total number of observations | 40438 | ||
Number of reflections | 6042 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.8 | 98.5 | 99.7 |
Redundancy | 6.7 | 6.1 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% w/v PEG 2000, 0.1 mol/L Tris-HCl (PH 8.5), 0.01 mol/L Ni2SO4 6H2O |